CID 11298271

332113-79-8

Structural Information

Molecular Formula
C9H8N2S
SMILES
C1=CC(=CC=C1C2=CN=CS2)N
InChI
InChI=1S/C9H8N2S/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,10H2
InChIKey
REVJABCPKIEHFF-UHFFFAOYSA-N
Compound name
4-(1,3-thiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

176.04082 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04810 133.6
[M+Na]+ 199.03004 143.4
[M-H]- 175.03354 139.5
[M+NH4]+ 194.07464 154.6
[M+K]+ 215.00398 139.4
[M+H-H2O]+ 159.03808 127.0
[M+HCOO]- 221.03902 154.6
[M+CH3COO]- 235.05467 147.8
[M+Na-2H]- 197.01549 137.3
[M]+ 176.04027 133.4
[M]- 176.04137 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe